3-[2-[(E)-2-cyano-3-[(3,5-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoate

Systemtic Name: 3-[2-[(E)-2-cyano-3-[(3,5-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoate Openeye Name: 3-[2-[(E)-2-cyano-3-(3,5-dimethylanilino)-3-oxo-prop-1-enyl]pyrrol-1-yl]benzoate CAS Name: 3-[2-[(E)-2-cyano-3-(3,5-dimethylanilino)-3-oxoprop-1-enyl]-1-pyrrolyl]benzoate IUPAC Name: 3-[2-[(E)-2-cyano-3-(3,5-dimethylanilino)-3-oxoprop-1-enyl]pyrrol-1-yl]benzoate Traditional Name: 3-[2-[(E)-2-cyano-3-(3,5-dimethylanilino)-3-keto-prop-1-enyl]pyrrol-1-yl]benzoate Formula: C23H18N3O3- MolecularWeight: 384.40732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(=CC2=CC=CN2C3=CC=CC(=C3)C(=O)[O-])C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)/C(=C/C2=CC=CN2C3=CC=CC(=C3)C(=O)[O-])/C#N)C

InChI

InChI=1S/C23H19N3O3/c1-15-9-16(2)11-19(10-15)25-22(27)18(14-24)13-21-7-4-8-26(21)20-6-3-5-17(12-20)23(28)29/h3-13H,1-2H3,(H,25,27)(H,28,29)/p-1/b18-13+